| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 29th, 2008 | 30 | No |
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.33 | 9.81 | -57.79 | 1 | 5 | -1 | 78 | 436.582 | 3 | ↓ |
| Hi High (pH 8-9.5) | 4.61 | 11.26 | -39.35 | 2 | 5 | -1 | 73 | 436.582 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.26 | 11.28 | -16.67 | 2 | 5 | 0 | 67 | 437.59 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 4.72 | 9.76 | -21.76 | 1 | 5 | 0 | 70 | 437.59 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 5.24 | 9.86 | -21.77 | 1 | 5 | 0 | 78 | 437.59 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 5.24 | 9.67 | -55.44 | 0 | 5 | -1 | 76 | 436.582 | 3 | ↓ |
